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1-(2,4-Dinitro-phenyl)-1H-benzotriazole

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1-(2,4-Dinitro-phenyl)-1H-benzotriazole
SpectraBase Compound ID ACxks6VjChj
InChI InChI=1S/C12H7N5O4/c18-16(19)8-5-6-11(12(7-8)17(20)21)15-10-4-2-1-3-9(10)13-14-15/h1-7H
InChIKey KJTTXOXWFXOPHJ-UHFFFAOYSA-N
Mol Weight 285.22 g/mol
Molecular Formula C12H7N5O4
Exact Mass 285.049804 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID JG4JRWAQFyA
Name 1-(2,4-Dinitro-phenyl)-1H-benzotriazole
CAS Registry Number 13417-39-5
Copyright Copyright © 2002-2024 Wiley-VCH Verlag GmbH & Co. KGaA. All Rights Reserved.
Formula C12H7N5O4
InChI InChI=1S/C12H7N5O4/c18-16(19)8-5-6-11(12(7-8)17(20)21)15-10-4-2-1-3-9(10)13-14-15/h1-7H
InChIKey KJTTXOXWFXOPHJ-UHFFFAOYSA-N
Instrument Name Jeol PS-100
Literature Reference M. Begtrup, J. Elguero, R. Faure, Magn. Res. Chem. 26, 134 (1988).
NMR Standard TMS
Origin Chemical Concepts. A Wiley Division. Weinheim, Germany
Solvent DMSO-D6